SCHEMBL5177429

SCHEMBL5177429

O=C(Cc1cccc(OC(F)(F)F)c1)NCc1ccc(C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
SCN9A Q15858 2/20 0.48
DGAT2 Q96PD7 1/20 0.47
CTSD P07339 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
HTR2C P28335 3/20 0.46
NAMPT P43490 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
FFAR2 O15552 1/20 0.44
GLS O94925 2/20 0.44
EPHX2 P34913 2/20 0.44
LTA4H P09960 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3569054 0.83 BACE1 (0.57)
SCHEMBL3584100 0.82 MAPK14 (0.53) MAPK14DGAT2CTSDROCK2ROCK1
SCHEMBL3272257 0.82 EPHX2 (0.60) MAPK14DGAT2ROCK2ROCK1FFAR2
SCHEMBL5177646 0.82 MAPK14 (0.53) MAPK14DGAT2CTSDROCK2ROCK1
SCHEMBL3581264 0.82 HTR2C (0.53) MAPK14DGAT2CTSDROCK2ROCK1
SCHEMBL3573466 0.79 BACE1 (0.55)
SCHEMBL5176588 0.78 CNR1 (0.46) SCN9AEPHX2LTA4H
SCHEMBL5175891 0.77 BACE1 (0.58) MAPK14HTR2CEPHX2LTA4H
SCHEMBL5634224 0.76 TRPV1 (0.53) CTSD
SCHEMBL24439970 0.75 KIF11 (0.54) MAPK14DGAT2CTSDROCK2ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP MAPK14 4197/4885SCN9A 2279/4885DGAT2 1375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.